SCHEMBL5451078

SCHEMBL5451078

COc1cccc2c1CN(CC(=O)N1c3ccccc3CCc3ccccc31)CC2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 5/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MEN1 O00255 1/20 0.48
DRD2 P14416 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5445274 0.89 DRD2 (0.44) TP53KMT2AALDH1A1HDAC1HDAC6
SCHEMBL5458572 0.89 ALDH1A1 (0.54) TP53KMT2AALDH1A1MEN1DRD2
SCHEMBL5451057 0.82 MEN1 (0.55) TP53KMT2AKDM4EALDH1A1MEN1
SCHEMBL5753631 0.82 DRD2 (0.53) KMT2AKDM4EHDAC1HDAC6MEN1
SCHEMBL5454426 0.82 MEN1 (0.61) KMT2AKDM4EALDH1A1MEN1CYP1A2
SCHEMBL5467983 0.81 CYP3A4 (0.48) TP53KMT2AALDH1A1MEN1DRD2
SCHEMBL5467644 0.81 POLB (0.50) KMT2AHDAC1HDAC6DRD2HTT
SCHEMBL5461335 0.81 DRD2 (0.52) KMT2AKDM4EHDAC1HDAC6MEN1
SCHEMBL5454473 0.81 CYP3A4 (0.48) TP53KMT2AALDH1A1MEN1CYP1A2
SCHEMBL5454599 0.80 ALDH1A1 (0.46) TP53KMT2AKDM4EALDH1A1HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A TP53 4865/4885KMT2A 2911/4885KDM4E 1446/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.